SCHEMBL22959412

SCHEMBL22959412

CC(C)c1cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)ccc1OC(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.81
THRB P10828 6/20 0.81
TRPV1 Q8NER1 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRA P10827 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22959110 0.90 RORC (1.00) RORCTHRB
SCHEMBL22959179 0.89 RORC (0.85) RORCTHRBTHRA
SCHEMBL22959350 0.86 RORC (0.82) RORCTHRBTHRA
SCHEMBL22959177 0.85 RORC (0.80) RORCTHRBTHRA
SCHEMBL22959180 0.84 RORC (0.79) RORCTHRBTHRA
SCHEMBL22959380 0.82 RORC (0.75) RORCTHRBTHRA
SCHEMBL22959121 0.81 RORC (0.81) RORCTHRB
SCHEMBL22959408 0.81 RORC (1.00) RORCTHRBTHRA
SCHEMBL22959366 0.80 RORC (0.79) RORCTHRBTHRA
SCHEMBL22959332 0.79 RORC (1.00) RORCTHRBTHRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021026179-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 WO disclosed